Publications
35. Schäfer TM, Settanni GData Reweighting in Metadynamics Simulations
J. Chem. Theory Comput. 2020, 16, 4, 2042-2052
34. Bauer MR, Krämer A, Settanni G, Jones RN, Ni X, Khan Tareque R, Fersht AR, Spencer J, Joerger AC
Targeting cavity-creating p53 cancer mutations with small-molecule stabilizers: the Y220X paradigm
ACS Chem. Biol., 2020, 15, 3, 657-668
33. Settanni G, Schäfer T, Muhl C, Barz M, Schmid F
Poly-sarcosine and Poly (Ethylene-Glycol) interactions with proteins investigated using molecular dynamics simulations
Comput. Struct. Biotechnol. J., 2018, 16, 543-550
32. Settanni G, Zhou J, Schmid F
Interactions between proteins and poly (ethylene-glycol) investigated using molecular dynamics simulations
Journal of Physics: Conference Series, 2017, 921, 012002
Potassium Triggers a Reversible Specific Stiffness Transition in Polyethylene Glycol
J. Phys Chem C., 2017, 121, 22396-22402
30. Settanni G, Zhou J, Suo T, Schöttler S, Landfester K, Schmid F and Mailänder V
Protein corona composition of poly(ethylene glycol)- and poly(phosphoester)-coated nanoparticles correlates strongly with the amino acid composition of the protein surface
Nanoscale, 2017, 9, 2138-2144
29. Köhler S, Schmid F, Settanni G.
Molecular Dynamics Simulations of the Initial Adsorption Stages of Fibrinogen on Mica and Graphite Surfaces
Langmuir. 2015 31(48):13180-90
28. Köhler S, Schmid F, Settanni G.
The Internal Dynamics of Fibrinogen and Its Implications for Coagulation and Adsorption
PLoS Comput Biol. 2015 11(9):e1004346
27. Settanni G
Simulations and Experiments in Protein Folding
Molecular Modeling of Proteins 2015 1215:289-306
26. Settanni G, Serquera D, Marszalek PE, Paci E, Itzhaki LS.
Effects of ligand binding on the mechanical properties of ankyrin repeat protein gankyrin.
PLoS Comput Biol. 2013 9(1):e1002864
25. Radford IH, Fersht AR, Settanni G.
Combination of Markov state models and kinetic networks for the analysis of molecular dynamics simulations of peptide folding.
J Phys Chem B. 2011 115(22):7459-71
24. Svava K. Wetzel, Christina Ewald, Simon Jurt, Giovanni Settanni, Andreas Plückthun and Oliver Zerbe.
Residue-resolved stability of full-consensus ankyrin repeat proteins probed by NMR.
J. Mol. Biol., 2010 402(1):241-58
23. Serquera D., Lee W., Settanni G., Paci E., Marszalek P.E., Itzhaki L.S.
Mechanical unfolding of an ankyrin repeat protein.
Biophys. J., 2010 98(7):1294-301
22. Basse N., Kaar J. L., Settanni G., Joerger A. C., Rutherford T. J., Fersht A. R.
Towards the Rational Design of p53 Stabilizing Drugs: Probing the Surface of the Oncogenic Y220C Mutant
Chemistry & Biology, 2010 17(1):46-56
21. Huang F., Rajagopalan S., Settanni S., Marsh R., Armoogum D., Nicolaou N., Bain A., Lener E., Haas E., Ying L., Fersht A. R.
Multiple conformations of full-length p53 detected with single-molecule fluorescence resonance energy transfer.
Proc. Natl. Acad. Scie. USA, 2009 106(49):20758-20763
20. Settanni G., Fersht A. R.
Downhill versus barrier-limited folding of BBL 3. Heterogeneity of the native state of the BBL peripheral subunit binding domain and its implications for folding mechanisms.
J. Mol. Biol. 2009 387(4):993-1001
19. Yu G. W., Vaysburd M., Allen M. D., Settanni G., Fersht A. R.
Structure of human MDM4 N-terminal domain bound to a single-domain antibody.
J. Mol. Biol. 2009 385(5):1578-89.
18. Settanni G., Fersht A. R.
High Temperature Unfolding Simulations of the TRPZ1 peptide
Biophys. J. 2008 94(11):4444-53
17. Huang F., Settanni G., Fersht A. R.
Fluorescence resonance energy transfer analysis of the folding pathway of Engrailed Homeodomain.
Protein Eng. Des. Sel. 2008 21(3):131-46
16. Wetzel S.K., Settanni G., Kenig M., Binz K., Plückthun A.
Folding and Unfolding Mechanism of Highly Stable Full Consensus Ankyrin Repeat Proteins
J. Mol. Biol. 2008 376(1):241-57
15. Interlandi G., Wetzel S.K., Settanni G., Plückthun A., Caflisch A.
Unfolding of designed ankyrin repeat proteins characterized by molecular dynamics simulations and chemical denaturation experiments
J. Mol. Biol. 2008 375(3):837-54
14. Rao F., Settanni G., Caflisch A.
Estimation of folding probabilities and phi values from molecular dynamics simulations of reversible Peptide folding.
Methods Mol Biol. 2007; 350:225-49.
13. Seeber M., Cecchini M., Rao F., Settanni G., Caflisch A.
Wordom: a program for efficient analysis of molecular dynamics simulations
Bioinformatics. 2007 23(19):2625-7
12. Interlandi G., Settanni G., Caflisch A.
Unfolding transition state and intermediates of the tumor suppressor p16INK4a investigated by molecular dynamics simulations.
Proteins. 2006 Jul 1;64(1):178-92.
11. Rao F., Settanni G., Guarnera E., Caflisch A.
Estimation of protein folding probability from equilibrium simulations.
J. Chem. Phys., 2005, 122:184901
10. Settanni G., Rao F., Caflisch A.
Phi-value analysis by molecular dynamics simulations of reversible folding
Proc. Natl. Acad. Scie. USA, 2005, 102:628-33.
9. Settanni G., Gsponer J., Caflisch A.
Formation of the folding nucleus of an SH3 domain investigated by loosely coupled molecular dynamics simulations
Biophys J. 2004; 86:1691-1701
8. Uk B., M. Taufer, T. Stricker, G. Settanni, A. Cavalli, A. Caflisch: Combining Task- and Data Parallelism to Speed up Protein Folding on a Desktop Grid Platform
Proc. of the CCGRID 2003, IEEE International Symposium on Cluster Computing and the Grid, May 2003, Tokyo, Japan.
7. Settanni G., Cattaneo, A., Carloni P.
Molecular Dynamics Simulations of the NGF / TrkA domain 5 Complex and Comparison with Biological Data
Biophys J. 2003 84(4): 2282-92 (download)
6. Uk B., M. Taufer, T. Stricker, G. Settanni, A. Cavalli
Implementation and Characterization of Protein Folding on a Desktop Computational Grid
Proc. of IPDPS 2003, IEEE/ACM International, Parallel and Distributed Processing Symposium, April 2003, Nice, France.
5. Settanni, G., Hoang, T.X., Micheletti, C., Maritan, A.
Folding Pathways of Prion and Doppel
Biophys. J. 2002 83 (6): 3533-42 (download)
4. Visintin, M., Settanni, G., Graziosi, S., Maritan, A., Marks, J.D., Cattaneo, A.
The intracellular antibody capture technology (IACT): towards an optimal consensus sequence for intracellular antibodies.
J. Mol. Biol. 2002 317 (1): 73-83 (download)
3. Settanni G, Cattaneo A, Maritan A
The role of native-state topology in the stabilization of intracellular antibodies
Biophys. J. 2001 81: 2935-2945 (download)
2. Dima RI, Settanni G, Micheletti C, Banavar JR, Maritan A
Extraction of interaction potentials between amino acids from native protein structures
J Chem Phys 112: (20) 9151-9166 May 22 2000 (download) (condmat)
1. Settanni G, Treves A
Analytical model for the effects of learning on spike count distributions
Neural Comput 12: (8) 1773-1787 Aug 2000 (download) (draft)
PATENTS
1. Rabbits T.H., Settanni G., Maritan A., Cattaneo A., Visintin M.
Intracellualr Antibodies. 2003. Patent Application. Patent number WO03014960.